Calcium atoms anchored inside carbon nanotubes bind H2 with energies in the viable -0.2 to -0.4 eV window per diffusion Monte Carlo calculations.
Supplemental material for “towards viable h2 storage in ca decorated low-dimensional materials with insights from reference quantum monte carlo
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Towards viable H$_2$ storage in Ca decorated low-dimensional materials with insights from reference quantum Monte Carlo
Calcium atoms anchored inside carbon nanotubes bind H2 with energies in the viable -0.2 to -0.4 eV window per diffusion Monte Carlo calculations.